2-[4-(4-fluorophenyl)piperazin-1-yl]-5-(thiophen-2-ylsulfonylamino)benzoic acid

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-(thiophen-2-ylsulfonylamino)benzoic acid Openeye Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2-thienylsulfonylamino)benzoic acid CAS Name: 2-[4-(4-fluorophenyl)-1-piperazinyl]-5-(thiophen-2-ylsulfonylamino)benzoic acid IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-(thiophen-2-ylsulfonylamino)benzoic acid Traditional Name: 2-[4-(4-fluorophenyl)piperazino]-5-(2-thienylsulfonylamino)benzoic acid Formula: C21H20FN3O4S2 MolecularWeight: 461.529603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CS4)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C21H20FN3O4S2/c22-15-3-6-17(7-4-15)24-9-11-25(12-10-24)19-8-5-16(14-18(19)21(26)27)23-31(28,29)20-2-1-13-30-20/h1-8,13-14,23H,9-12H2,(H,26,27)